3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol

C16H13N3O2 — CID 107921074

IUPAC3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESNc1cccc(/C=C/c2nc(-c3cccc(O)c3)no2)c1
InChIInChI=1S/C16H13N3O2/c17-13-5-1-3-11(9-13)7-8-15-18-16(19-21-15)12-4-2-6-14(20)10-12/h1-10,20H,17H2/b8-7+
InChIKeySDAYMSRLNDYOJS-BQYQJAHWSA-N
MW279.30 g/mol
LogP3.19
Rot. Bonds3

About 3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol

3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 107921074) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID107921074
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESNc1cccc(/C=C/c2nc(-c3cccc(O)c3)no2)c1
InChIInChI=1S/C16H13N3O2/c17-13-5-1-3-11(9-13)7-8-15-18-16(19-21-15)12-4-2-6-14(20)10-12/h1-10,20H,17H2/b8-7+
InChIKeySDAYMSRLNDYOJS-BQYQJAHWSA-N
XLogP3.19
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115340149
3-[(E)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340239
4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 133064436
3-[(E)-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 82896372
3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115340174
3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921126
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790777
3-[(E)-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 116632651
3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340155
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 71842832
3-[(E)-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340336

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol (CID 107921074) is 3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol is Nc1cccc(/C=C/c2nc(-c3cccc(O)c3)no2)c1.
What is the InChIKey of 3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is SDAYMSRLNDYOJS-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-13-5-1-3-11(9-13)7-8-15-18-16(19-21-15)12-4-2-6-14(20)10-12/h1-10,20H,17H2/b8-7+.
What are the key properties of 3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol?
3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 279.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 107921074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).